2,2,2-trifluoro-N-[[(2S)-2-methyl-1,3-thiazolidin-5-yl]methyl]acetamide

C7H11F3N2OS — CID 143474585

IUPAC2,2,2-trifluoro-N-[[(2S)-2-methyl-1,3-thiazolidin-5-yl]methyl]acetamide
SMILESC[C@H]1NCC(CNC(=O)C(F)(F)F)S1
InChIInChI=1S/C7H11F3N2OS/c1-4-11-2-5(14-4)3-12-6(13)7(8,9)10/h4-5,11H,2-3H2,1H3,(H,12,13)/t4-,5?/m0/s1
InChIKeyCSXCACRURLTRLR-ROLXFIACSA-N
MW228.24 g/mol
LogP0.72
Rot. Bonds2

About 2,2,2-trifluoro-N-[[(2S)-2-methyl-1,3-thiazolidin-5-yl]methyl]acetamide

2,2,2-trifluoro-N-[[(2S)-2-methyl-1,3-thiazolidin-5-yl]methyl]acetamide (PubChem CID 143474585) has the molecular formula C7H11F3N2OS and a molecular weight of 228.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[(2S)-2-methyl-1,3-thiazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[(2S)-2-methyl-1,3-thiazolidin-5-yl]methyl]acetamide
PubChem CID143474585
Molecular FormulaC7H11F3N2OS
Molecular Weight228.24 g/mol
Exact Mass228.05
IUPAC Name2,2,2-trifluoro-N-[[(2S)-2-methyl-1,3-thiazolidin-5-yl]methyl]acetamide
SMILESC[C@H]1NCC(CNC(=O)C(F)(F)F)S1
InChIInChI=1S/C7H11F3N2OS/c1-4-11-2-5(14-4)3-12-6(13)7(8,9)10/h4-5,11H,2-3H2,1H3,(H,12,13)/t4-,5?/m0/s1
InChIKeyCSXCACRURLTRLR-ROLXFIACSA-N
XLogP0.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Trifluoromethylthiazolidin-4-one
CID 129747045
2,2,2-trifluoro-N-[[(2S,5S)-2-methyl-1,3-thiazolidin-5-yl]methyl]acetamide
CID 58880429
2,2,2-trifluoro-N-[[(5S)-1,3-thiazolidin-5-yl]methyl]acetamide
CID 58880433
2,2,2-trifluoro-N-[(2S)-2-methyl-1,3-thiazolidin-5-yl]acetamide
CID 58880441
2,2,2-trifluoro-N-[[(4R)-1,3-thiazolidin-4-yl]methyl]acetamide
CID 59316828
2,2,2-trifluoro-N-thiazolidin-4-ylmethyl-acetamide
CID 72254565
2,2,2-trifluoro-N-(thiolan-2-yl)acetamide
CID 88837563
2,2,2-trifluoro-N-[[(4S)-1,3-thiazolidin-4-yl]methyl]acetamide
CID 89060539
2,2,2-trifluoro-N-[(2S,5R)-2-methyl-1,3-thiazolidin-5-yl]acetamide
CID 89359150
2-(2,2,2-Trifluoroethyl)-1,3-thiazolidin-4-one
CID 153931727
N-(3,3,3-trifluoro-2-methylsulfanylpropyl)acetamide
CID 155154973
2-(1,2,2-Trifluoroethyl)-1,3-thiazolidin-4-one
CID 175306402

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[(2S)-2-methyl-1,3-thiazolidin-5-yl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[(2S)-2-methyl-1,3-thiazolidin-5-yl]methyl]acetamide (CID 143474585) is 2,2,2-trifluoro-N-[[(2S)-2-methyl-1,3-thiazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[(2S)-2-methyl-1,3-thiazolidin-5-yl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[(2S)-2-methyl-1,3-thiazolidin-5-yl]methyl]acetamide is C[C@H]1NCC(CNC(=O)C(F)(F)F)S1.
What is the InChIKey of 2,2,2-trifluoro-N-[[(2S)-2-methyl-1,3-thiazolidin-5-yl]methyl]acetamide?
The InChIKey is CSXCACRURLTRLR-ROLXFIACSA-N. The full InChI is InChI=1S/C7H11F3N2OS/c1-4-11-2-5(14-4)3-12-6(13)7(8,9)10/h4-5,11H,2-3H2,1H3,(H,12,13)/t4-,5?/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[[(2S)-2-methyl-1,3-thiazolidin-5-yl]methyl]acetamide?
2,2,2-trifluoro-N-[[(2S)-2-methyl-1,3-thiazolidin-5-yl]methyl]acetamide has a molecular weight of 228.24 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[(2S)-2-methyl-1,3-thiazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 143474585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).